carbanide;dichlororuthenium;pentane

C6H13Cl2Ru-3 — CID 22956552

IUPACcarbanide;dichlororuthenium;pentane
SMILESC[CH-]C[CH-]C.Cl[Ru]Cl.[CH3-]
InChIInChI=1S/C5H10.CH3.2ClH.Ru/c1-3-5-4-2;;;;/h3-4H,5H2,1-2H3;1H3;2*1H;/q-2;-1;;;+2/p-2
InChIKeyJQSUUGDQBGYPCY-UHFFFAOYSA-L
MW257.15 g/mol
LogP3.65
Rot. Bonds2

About carbanide;dichlororuthenium;pentane

carbanide;dichlororuthenium;pentane (PubChem CID 22956552) has the molecular formula C6H13Cl2Ru-3 and a molecular weight of 257.15 g/mol. Its IUPAC name is carbanide;dichlororuthenium;pentane.

Molecular Properties

Compound Namecarbanide;dichlororuthenium;pentane
PubChem CID22956552
Molecular FormulaC6H13Cl2Ru-3
Molecular Weight257.15 g/mol
Exact Mass256.95
IUPAC Namecarbanide;dichlororuthenium;pentane
SMILESC[CH-]C[CH-]C.Cl[Ru]Cl.[CH3-]
InChIInChI=1S/C5H10.CH3.2ClH.Ru/c1-3-5-4-2;;;;/h3-4H,5H2,1-2H3;1H3;2*1H;/q-2;-1;;;+2/p-2
InChIKeyJQSUUGDQBGYPCY-UHFFFAOYSA-L
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.15
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

Butane;carbanide;dichlororuthenium
CID 21361201
Pentane;ruthenium(3+);dichloride
CID 88225269
Pentane;trichlororuthenium
CID 161705904
Dichlororuthenium;pentane
CID 173669510
Dichloro(pentylidene)ruthenium
CID 23531108

Frequently Asked Questions

What is the IUPAC name of carbanide;dichlororuthenium;pentane?
The IUPAC name of carbanide;dichlororuthenium;pentane (CID 22956552) is carbanide;dichlororuthenium;pentane.
What is the SMILES notation for carbanide;dichlororuthenium;pentane?
The canonical SMILES for carbanide;dichlororuthenium;pentane is C[CH-]C[CH-]C.Cl[Ru]Cl.[CH3-].
What is the InChIKey of carbanide;dichlororuthenium;pentane?
The InChIKey is JQSUUGDQBGYPCY-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H10.CH3.2ClH.Ru/c1-3-5-4-2;;;;/h3-4H,5H2,1-2H3;1H3;2*1H;/q-2;-1;;;+2/p-2.
What are the key properties of carbanide;dichlororuthenium;pentane?
carbanide;dichlororuthenium;pentane has a molecular weight of 257.15 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;dichlororuthenium;pentane is sourced from PubChem (CID 22956552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).